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Low-Temperature Seebeck Coefficients for Polaron-Driven Thermoelectric Effect in Organic Polymers
Pedro Henrique de Oliveira Neto1,2, Demétrio A da Silva Filho1, Luiz F Roncaratti1
1Institute of Physics, University of Brasilia , Brasilia 70.919-970, Brazil.
Abstract:
We report the results of electronic structure coupled to molecular dynamics simulations on organic polymers subject to a temperature gradient at low-temperature regimes. The temperature gradient is introduced using a Langevin-type dynamics corrected for quantum effects, which are very important in these systems. Under this condition we were able to determine that in these no-impurity systems the Seebeck coefficient is in the range of 1-3 μV/K. These results are in good agreement with reported experimental results under the same low-temperature conditions.
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